RSC Advances,
Journal Year:
2022,
Volume and Issue:
12(21), P. 13412 - 13427
Published: Jan. 1, 2022
Non-fullerene
(NF)-based
compounds
have
attracted
much
attention
as
compared
to
fullerene-based
materials
because
of
their
promising
optoelectronic
properties,
lower
synthetic
cost
and
greater
stability.
Usually,
the
end-capped
groups
a
impact
in
magnifying
nonlinear
optical
(NLO)
characteristics
non-fullerene
molecules.
Based
on
this,
series
new
NLO
active
molecules
(NFAD2-NFAD6)
been
established.
The
were
designed
by
modification
acceptor
moieties
reference
(NFAR1),
while
donor
π-bridge
kept
same
entire
series.
Quantum
chemistry-based
calculations
at
M06/6-311G(d,p)
level
done
determine
for
other
supportive
analyses.
utilized
opposite
terminals
NFAD2-NFAD6,
which
proved
be
an
effective
approach
tuning
FMO
band
gap.
Overall
results
natural
bond
orbital
(NBO),
density
state
(DOS)
transition
matrices
(TDMs)
analyses
supported
properties
compounds.
Among
all
studied
compounds,
NFAD4
was
proven
most
suitable
candidate
due
its
well
bandgap
1.519
eV
maximum
absorption
wavelength
999.550
nm.
Therefore,
reported
with
amplitude
dipole
polarizability
(10.429
e.s.u),
average
(2.953
×
10-22
first
hyperpolarizability
(13.16
10-27
e.s.u.)
second
(2.150
10-31
than
derivatives
NFAR1.
Subsequently,
present
study
depicted
significance
utilizing
different
achieve
material.
This
computational
may
lead
towards
plausible
pathways
researchers
design
potent
substances
impending
hi-tech
applications.
SusMat,
Journal Year:
2022,
Volume and Issue:
2(5), P. 591 - 606
Published: Sept. 11, 2022
Abstract
The
power
conversion
efficiencies
(PCEs)
of
single‐junction
organic
solar
cells
(OSCs)
have
surpassed
19%,
owing
to
the
emerging
Y‐series
nonfullerene
acceptors
(NFAs).
Undoubtedly,
and
flexibility
chemical
design
has
been
a
strong
driver
for
this
rapid
efficiency
improvement
in
OSC
field.
Over
course
past
3
years,
variety
modifications
made
structure
Y6
acceptor,
large
number
NFAs
reported
further
improve
performance.
Herein,
we
present
our
insights
into
rationale
behind
acceptor
discuss
principles
toward
high‐performance
NFAs.
It
is
clear
that
structural
through
choice
heteroatom,
soluble
chains,
π
spacers,
central
cores,
end
groups
alter
material
characteristics
properties,
contributing
distinctive
photovoltaic
Subsequently,
analyze
various
strategies
Y‐series‐containing
materials,
including
polymerized
small‐molecule
(PSMA),
non‐fused‐ring
(NFRA),
all‐fused‐ring
(AFRA).
This
review
expected
be
value
providing
effective
molecular
future
innovations.
ACS Applied Energy Materials,
Journal Year:
2022,
Volume and Issue:
5(7), P. 8452 - 8459
Published: June 16, 2022
For
this
work,
a
Mg2+-doped
LiFePO4
(LFP)
cathode
material
was
prepared
using
solid-state
method
with
Mg(CH3COO)2
as
the
Mg2+
dopant.
X-ray
diffraction
and
refinement
data
suggested
that
an
appropriate
doping
amount
of
can
reduce
cell
volume
LFP,
shorten
Fe–O
P–O
bonds,
elongate
Li–O
bond,
thereby
facilitating
diffusion
Li+.
photoelectron
spectroscopy
test
results
revealed
prevents
formation
Li–Fe
antisite
defects
while
also
promoting
Fe2P,
improving
electronic
conductivity
LFP.
The
measured
four-probe
teste,
Li+
rate
fitted
calculated
according
to
electrochemical
impedance
results.
found
electron
expanded
by
275
times
coefficient
increased
3.6
following
LFP
being
doped
Mg2+.
Charge/discharge
curves
cyclic
voltammetry
reveal
has
superior
reversibility,
performance,
cycle
stability,
capacity
be
maintained
at
162
mA
h
g–1
300
cycles
0.1
C.
ACS Energy Letters,
Journal Year:
2022,
Volume and Issue:
8(1), P. 96 - 106
Published: Nov. 22, 2022
Many
studies
have
proven
the
significant
roles
of
side
chains
far
beyond
being
solubilizing
groups
as
well
interesting
merits
fluorination
on
π-backbones
in
intrinsic
properties
and
device
performances
organic
semiconductors.
Considering
integration
two
features,
we
herein
introduce
a
4,4,4-trifluorobutyl
(CF3-terminated)
chain
into
2H-1,2,3-benzotriazole-core-based
acceptor–donor–acceptor–donor–acceptor-type
nonfullerene
acceptor
(NFA)
named
YCF3
demonstrate
its
effectiveness
optoelectronic,
morphological,
photovoltaic
properties.
Comparative
experimental
theoretical
confirmed
unique
features
(e.g.,
red-shifted
film
absorption,
better
absorptivity,
finely
adjusted
energies,
higher
mobility)
associated
with
enhanced
crystalline
nature,
compared
analogous
NFA
an
n-butyl
YCH3.
The
best
power
conversion
efficiency
(PCE)
18.21%
is
achieved
YCF3-based
binary
solar
cell
(OSC)
together
good
heat
light
stability.
Moreover,
OSC
presents
remarkable
PCE
16.11%
inverted-structure
large-area
device.
